2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone

C14H12N2OS — CID 115333062

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H12N2OS/c1-10-3-2-4-11(7-10)13(17)8-12-9-16-5-6-18-14(16)15-12/h2-7,9H,8H2,1H3
InChIKeyOQPGUUWQSANTBS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.13
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone (PubChem CID 115333062) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
PubChem CID115333062
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H12N2OS/c1-10-3-2-4-11(7-10)13(17)8-12-9-16-5-6-18-14(16)15-12/h2-7,9H,8H2,1H3
InChIKeyOQPGUUWQSANTBS-UHFFFAOYSA-N
XLogP3.13
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
1-(3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791953
1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55560638
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
CID 113289114
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
6-[2-(chloromethyl)-3-(3-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335168
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone (CID 115333062) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone?
The InChIKey is OQPGUUWQSANTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-10-3-2-4-11(7-10)13(17)8-12-9-16-5-6-18-14(16)15-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone has a molecular weight of 256.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 115333062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).